Common name
etem
Formula
C4H4N2S3
CAS
33813-20-6
IUPAC name
5,6-dihydro-3H-imidazo[2,1-c]-1,2,4-dithiazole-3-thione
SMILES
C1Cn2c(=N1)ssc2=S
INCHI
InChI=1S/C4H4N2S3/c7-4-6-2-1-5-3(6)8-9-4/h1-2H2
Physicochemical Properties
Molecular weight:
Molar refractivity:
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Complexity of system:
Lipophilicity
ALogP:
MLogP:
XLogP:
Water Solubility
CLogS:
Geometric
PPSA-1:
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THSA:
TPSA:
RHSA:
RPSA:
Electrostatic
RPCG:
RNCG:
Flexibility
Num. Rot. bonds: 0
Frac. of Rot. bonds:
AgroPAD
Photostability
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Topological
topoRadius:
topoDiameter:
TopoPSA:
Fungicide-likeness scores
The higher the score, the better the fungicide-likeness
RDL:
QEF:
Gau:
